2-Oxo-3a-hydroxy-ent-labd-7-en-15-oic acid

2-Oxo-3a-hydroxy-ent-labd-7-en-15-oic acid

Common Name: 2-Oxo-3a-hydroxy-ent-labd-7-en-15-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H40O4/c1-15(13-20(25)26-8)9-11-17-16(2)10-12-19-22(3,4)21-18(14-24(17,19)7)27-23(5,6)28-21/h10,15,17-19,21H,9,11-14H2,1-8H3/t15-,17-,18-,19-,21-,24+/m1/s1

InChIKey: InChIKey=JRFYTWXOIGLDFC-RANHSNSZSA-N

Formula: C24H40O4

Molecular Weight: 392.572911

Exact Mass: 392.29266

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Favier, L.S., Nieto, M., Giordano, O.S., Tonn, C.E. Phytochemistry (1997) 45, 1469-74

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)

Carbon NMR Peaks

Position PPM
1 (CH2) 31.3
2 (CH) 73.7
3 (CH) 83.1
4 (C) 36.7
5 (CH) 47.5
6 (CH2) 22.7
7 (CH) 123.7
8 (C) 137
9 (CH) 51.9
10 (C) 36.5
11 (CH2) 24.8
12 (CH2) 35.5
13 (CH) 31
14 (CH2) 41.5
15 (C) 175.5
16 (CH3) 19.6
17 (CH3) 22.3
18 (CH3) 19.8
19 (CH3) 25
20 (CH3) 17.3
2a (C) 108
2b (CH3) 27.4
2c (CH3) 28.6
15a (CH3) 51.4